5-(1,2-oxazol-5-yl)furan-2-sulfonyl chloride

• ChemBase编号: 120771
• 分子式: C7H4ClNO4S
• 平均质量: 233.62896
• 单一同位素质量: 232.95495629
• SMILES: S(=O)(=O)(c1oc(c2oncc2)cc1)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc(o1)c1ccno1
• InChI: InChI=1S/C7H4ClNO4S/c8-14(10,11)7-2-1-5(12-7)6-3-4-9-13-6/h1-4H
• InChIKey: AWYRXMXRSGZTEN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(1,2-oxazol-5-yl)furan-2-sulfonyl chloride
• IUPAC传统名: 5-(1,2-oxazol-5-yl)furan-2-sulfonyl chloride
• 别名: 5-(5-isoxazolyl)-2-furansulfonyl chloride; 5-(5-Isoxazolyl)-2-furansulfonyl chloride; 5-(isoxazol-5-yl)furan-2-sulfonyl chloride

登记号

• CAS号: 551930-54-2
• MDL号: MFCD02187483
• PubChem SID: 162215124
• PubChem CID: 2765644

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.0008581
• LogD (pH = 7.4): 1.0008584
• Log P: 1.0008584
• 摩尔折射率: 48.3521 cm^3
• 极化性: 20.356268 Å^3
• 极化表面积: 73.31 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C7H4ClNO4S

详细说明

Sigma Aldrich - CBR00092

Other Notes
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